InCHi String:
InChI=1/C54H62O22/c1-27(55)67-25-47(51(73-31(5)59)33-13-15-39(71-29(3)57)41(17-33)61-7)75-53-43(63-9)19-35(20-44(53)64-10)49-37-23-70-50(38(37)24-69-49)36-21-45(65-11)54(46(22-36)66-12)76-48(26-68-28(2)56)52(74-32(6)60)34-14-16-40(72-30(4)58)42(18-34)62-8/h13-22,37-38,47-52H,23-26H2,1-12H3
Canonical and Isomeric SMILES: CC(=O)OCC(C(C1=CC(=C(C=C1)OC(C)=O)OC)OC(C)=O)OC2=C(C=C(C=C2OC)C6C5COC(C3=CC(=C(C(=C3)OC)OC(COC(C)=O)C(C4=CC(=C(C=C4)OC(C)=O)OC)OC(C)=O)OC)C5CO6)OC
Lignin abbreviationG-b-S-r-S-b-G (acetate)
PubChem Substance (SID):
111678001PubChem Compound (CID): n/a
KEGG: Compound ID n/a
CAS Registry IDs: n/a
PDB Chemical Component n/a
NMR Lignin Database 197
Miscellaneous Databases and IDs: n/a
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.